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Search results for: ELECTRON-MOLECULE SCATTERING
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SEM micrographs of Ti tooth implant corrosion
Open Research DataThe dataset contains micrographs made with a scanning electron microscope (SEM) Hitachi S-3400N of the tooth implant removed after inflammation. The inflammation was induced by the increased corrosion rate of the titanium screw. The reason for the corrosion to occur was the appearance of the concentration cell of different aeration for various areas...
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Absence of superconductivity in fluorine-doped neptunium pnictide NpFeAsO
PublicationX-ray diffraction, specific heat, magnetic susceptibility and inelastic x-ray scattering measurements on the transurarium oxypnictides NpFeAsO and NpFeAsO0.85F0.15 are presented. No superconductivity down to 2 K was observed upon fluorine doping, contrary to the structurally analogous rare-earth pnictides. No modification of the phonon density of states was observed upon doping with fluorine. We discuss our results in light of...
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Zero-Pole Electromagnetic Optimization
PublicationA fast technique for the full-wave optimization of transmission or reflection properties of general linear timeinvariant high-frequency components is proposed. The method is based on the zeros and poles of the rational function representing the scattering parameters of the device being designed and it is the generalization of the technique developed for the design by optimization of microwave filters. The performance of the proposed...
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Analysis and characterization of coordination compounds by resonance Raman spectroscopy
PublicationResonance Raman spectroscopy has become a powerful tool to study excited-state geometries, excited-state charge distributions and photoinduced reaction dynamics in coordination compounds. Due to their rich photophysical properties coordination compounds are utilized for a variety of applications ranging from DNA sensing to photocatalysis. This review features recent applications of various resonance Raman scattering techniques...
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Azo and azoxythiacrown ethers: synthesis and properties
PublicationA series of 16- and 18-membered azo- and azoxythiacrown ethers have been synthesized by reductive macrocyclization of the respective bis(nitrophenoxy)oxaalkanes. The aromatic residues located in the polyether region of the molecule were introduced to macrocyclic skeletons and their affinities toward different groups of metal cations in ion-selective electrodes were described. X-ray structures for one dinitropodand and one azoxybenzothiacrown...
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Hydrogen migration observed in fragmentation of the pyridine molecules in collisions with the H+, H2+, He+and He++cations
PublicationThe hydrogen atom migration preceding fragmentation of the pyridine molecules by the H+, H2+, He+ and He++ collisions has been investigated in the 5-2000 eV energy range. The pyridine molecule structure is lacking of the NH group, thus formation of the NH radicals is an evidence of the H atom relocation prior to the cation-induced fragmentation. The NH(A3Π) fragmentation yields measured by detecting its A3Π→X3Σ− fluorescence show...
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Transiluminacyjne monitorowanie stanu przestrzeni podpajęczynówkowej
PublicationTransiluminacja tkanek ludzkiego ciała w celach diagnostycznych jest stosowana od ponad stu lat. Metoda transiluminacji w bliskiej podczerwieni z rozpraszaniem zwrotnym (NIRT-BSS) umożliwia ciągłe, bezinwazyjne monitorowanie zmian szerokości przestrzeni podpajęczynówkowej, które może być cennym narzędziem w ocenie zagrożenia obrzękiem mózgu. W rozprawie przedstawiono optyczny model rozchodzenia się promieniowania podczerwonego...
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The structure of vanadate glasses containing BaTiO3.
Open Research DataThe structure of vanadate glasses doped with BaTiO3 was measured by SEM technique. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated...
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XPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH
Open Research DataXPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH. XPS spectra were obtained using Al Kɑ (hv=1486.6 eV) radiation with a Prevac system equipped with a Scienta SES 2002 electron energy analyzer operating at constant transmission energy (Ep=50 eV). Sample abbreviations (CPMD, CPMH) are in agreement with the markings used in the linked...
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The XAS spectra of O-K edges, M-L edges and Ce-M edges in Ce0.9M0.1O2
Open Research DataThe dataset consists of XAS spectra of O-K edges, M-L edges of Ce0.9M0.1O2 (where M=Mn, Fe, Co, Ni, Cu) synthesised by reverse microemulsion method. XAS spectra were collected at PIRX beamline in SOLARIS National Synchrotron Radiation Centre. Measurements were perfomed under ultra high vacuum in total electron yield (TEY) mode.
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SEM images of symmetrical cell interface with SrTi0.30Fe0.70O3-d electrode and CGO-20 substrate in function of sintering temperature
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi0.30Fe0.70O3-d electrode and CGO-20 substrate in function of sintering temperature (800 °C, 900°C and 1000 °C) . Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage...
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SEM images of symmetrical cell interface with SrTi0.65Fe0.35O3-d electrode and CGO-20 substrate in function of sintering temperature
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi0.65Fe0.35O3-d electrode and CGO-20 substrate in function of sintering temperature (800 °C, 900°C and 1000 °C) . Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage...
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SEM images of symmetrical cell interface with SrTi1-xFexO3-d electrodes and CGO-20 substrate sintered at 800 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi1-xFexO3-d (x=0.35; 0.50; 0..70) electrodes and CGO-20 substrate sintered at 800 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 12 kV in a high vacuum...
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SEM images of symmetrical cell interface with SrTi0.50Fe0.50O3-d electrode and CGO-20 substrate in function of sintering temperature
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with SrTi0.50Fe0.50O3-d electrode and CGO-20 substrate in function of sintering temperature (800 °C, 900°C and 1000 °C) . Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage...
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Surface active fatty acid ILs: Influence of the hydrophobic tail and/or theimidazolium hydroxyl functionalization on aggregates formation
PublicationNine structurally-related fatty acid ionic liquids have been prepared and their thermal behavior as well as their ability to self-assemble in water has been investigated. The thermal properties were studied by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC), while the aggregation behavior was analyzed by tensiometry, isothermal titration calorimetry (ITC), conductometry, dynamic light scattering (DLS),...
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Coherent-wave Monte Carlo method for simulating light propagation in tissue
PublicationSimulating propagation and scattering of coherent light in turbid media, such as biological tissues, is a complex problem. Numerical methods for solving Helmholtz or wave equation (e.g. finite-difference or finite-element methods) require large amount of computer memory and long computation time. This makes them impractical for simulating laser beam propagation into deep layers of tissue. Other group of methods, based on radiative...
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Badanie procesów odpowiedzialnych za powstawanie nanostruktur w metodzie FEBID (focused electron beam induced deposition).
ProjectsProject realized in Faculty of Applied Physics and Mathematics according to 0189/DIA/2016/45 agreement from 2016-11-21
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Communication Model Order Reduction in Hybrid Methods Involving Generalized Impedance Matrix
PublicationA novel strategy for the efficient analysis of frequency-domain scattering electromagnetic problems in open and closed domains is presented. A fully automatic model-order reduction technique, called the enhanced reduced-basis method, is applied to increase the efficiency of the hybrid approach, which combines the finite-element and mode-matching methods. Numerical tests show that the proposed algorithm yields reliable and highly...
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Identification of Optocoupler Devices with RTS Noise
PublicationThe results of noise measurements in low frequency range for CNY 17 type optocouplers are presented. The research were carried out on devices with different values of Current Transfer Ratio (CTR). The methods for identification of Random Telegraph Signal (RTS) in noise signal of optocouplers were proposed. It was found that the Noise Scattering Pattern method (NSP method) enables to identify RTS noise as non-Gaussian component...
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Zero-Pole Space Mapping for CAD of Filters
PublicationIn this paper, we propose a new space-mapping technique tailored to the CAD of microwave filters. The goal of space mapping is to achieve a satisfactory design with the minimal number of fine model evaluations. In our approach, the filter is represented by a rational function. To quickly align the coarse and fine models, and to speed up the direct optimization of the coarse model, we propose matching the zeros and poles of a rational...
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublicationMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Alternative method for the synthesis of imidazo[5,1-f][1,2,4]triazin-4(3H)-one—a substrate for the preparation of phosphodiesterase (5) inhibitors
PublicationImidazo[5,1-f][1,2,4]triazin-4(3H)-ones, as isosteres of purine, are of interest for pharmaceutical research as potential substrates for the synthesis of cGMP-PDE5 inhibitors. We present a novel, alternative method for the synthesis of imidazotriazinones, that differs from the previously reported ones with respect to the method of construction of the triazinone ring in the molecule. The key step in our approach is condensation...
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SEM and Raman studies B:CNWs and BDD electrode used for electrochemical paraquat determination
Open Research DataThe dataset contains the scanning electron micrographs (SEM) and Raman spectra of B:CNWs and BDD samples deposited by MW-PECVD. SEM was used to characterise the morphology of BDD and B:CNW. In contrast, RAMAN was used to reveal the main differences in the crystalline structure of BDD and B:CNWs.
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Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublicationEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublicationInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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pH-Responsive Drug Delivery Nanoplatforms as Smart Carriers of Unsymmetrical Bisacridines for Targeted Cancer Therapy
PublicationSelective therapy and controlled drug release at an intracellular level remain key challenges for effective cancer treatment. Here, we employed folic acid (FA) as a self-navigating molecule in nanoconjugates containing quantum dots (QDs) and β-cyclodextrin (β-CD) for the delivery of antitumor unsymmetrical bisacridine compound (C-2028) to lung and prostate cancers as well as normal cells. The bisacridine derivative can form the...
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Integrable zero-range potentials in a plane
PublicationWe examine general statements in the Wronskian representation of Darboux transformations for plane zero-range potentials. Such expressions naturally contain scattering problem solution. We also apply Abel theorem to Wronskians for differential equations and link it to chain equations for Darboux transforms to fix conditions for further development of the underlying distribution concept. Moutard transformations give a convenient...
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Validation of polyurethane-wood composites properties
Open Research DataThis study focuses on the development of the PU-WC manufacturing method, the determination of properties of this type of composite, and the indication of its potential application. The mechanical properties of PU-WC were characterized by flexural tests. To determine the thermal properties, dynamic mechanical analysis (DMA) and thermogravimetric analysis...
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Quasirelativistic potential energy curves and transition dipole moments of NaRb
PublicationWe report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features...
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Reactivity of triphosphinoboranes towards H3B·SMe2: access to derivatives of boraphosphacycloalkanes with diverse substituents
PublicationTriphosphinoboranes activated the B–H bond in the BH3 molecule without any catalysts at room temperature. Hydroboration reactions led to boraphosphacyloalkanes with diverse structures. The outcomes of reactions depend on the size of the phosphanyl substituent on the boron atom of the parent triphosphinoborane, where derivatives of boraphosphacyclobutane and boraphosphacyclohexane were obtained. Furthermore, the precursor of triphosphinoboranes,...
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Superconductivity in LiGa2Ir Heusler type compound with VEC = 16
PublicationPolycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refnement of powder x-ray difraction data confrms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a= 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with...
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Interactions of positrons with atoms and molecules
PublicationThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublicationAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Accuracy of the discrete Green's function computations
PublicationThis paper discusses the accuracy of the discrete Green's function (DGF) computations. Recently closed-form expression of the DGF and its efficient numerical implementation were presented which facilitate the DGF applications in FDTD simulations of radiation and scattering problems. By carefully comparing the DGF results to those of the FDTD simulation, one can make conclusions about the range of the applicability of the DGF for...
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Left-handed propagation characteristics of a dielectric and metal-loaded periodic circular waveguide
PublicationIn this paper, a periodic dielectric/metallic rod is located in a circular waveguide to obtain left-handed operation. Two geometries of the dielectric/metallic rod are proposed and examined. The dispersion characteristics of the investigated waveguides are obtained using a surface impedance model. Moreover, equivalent circuit models are proposed allowing for calculation of the dispersion characteristics and scattering parameters...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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The structure of vanadate glass-ceramics containing BaTiO3.
Open Research DataThe structure of vanadate glass-ceramics doped with BaTiO3 was measured by SEM technique. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on...
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SEM images of symmetrical cell interface with Sr1.05Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at 800 °C, 900 °C and 1000 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with Sr1.05Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at three different temperatures 800 °C, 900 °C and 1000 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating...
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SEM images of symmetrical cell interface with Sr1.00Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at 800 °C, 900 °C and 1000 °C
Open Research DataThis dataset contains images of polished cross section of symmetrical cell interface with Sr1.00Ti0.30Fe0.70O3-d electrodes and CGO-20 substrate sintered at three different temperatures 800 °C, 900 °C and 1000 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating...
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TEM micrographs of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the TEM images of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the microstructure of an ammonium vanadate single nanobelt dependent on reaction condition.
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Optical Parameters Stability Over Time of Porous Phantoms Mimicking Tissues
Open Research DataOptical phantoms are used to validate optical measurement methods. The stability of their optical parameters over time allows them to be used and stored over long-term periods while maintaining their optical parameters. The aim of the presented research was to investigate the stability of fabricated porous phantoms, which can be used as a lung phantom...
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Au nanoparticles identifiction with the use of AFM Volta potential mapping
Open Research DataThe specific physical, chemical and electrochemical electrical properties of gold nanoparticles have led to their extensive use as high-performance chemical and biochemical sensors. The described properties relate to surface plasmon resonance, fluorescence quenching or enhancement, high electrical conductivity and light scattering. The described nanoparticles...
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Novel approach to modeling spectral-domain optical coherence tomography with Monte Carlo method
PublicationNumerical modeling Optical Coherence Tomography (OCT) systems is needed for optical setup optimization, development of new signal processing methods and assessment of impact of different physical phenomena inside the sample on OCT signal. The Monte Carlo method has been often used for modeling Optical Coherence Tomography, as it is a well established tool for simulating light propagation in scattering media. However, in this method...
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Multi-layered tissue head phantoms for noninvasive optical diagnostics
PublicationExtensive research in the area of optical sensing for medical diagnostics requires development of tissue phantoms with optical properties similar to those of living human tissues. Development and improvement of in vivo optical measurement systems requires the use of stable tissue phantoms with known characteristics, which are mainly used for calibration of such systems and testing their performance over time. Optical and mechanical...
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Use of optical skin phantoms for calibration of dermatological lasers
PublicationA wide range of dermatological diseases can be efficiently treated using laser heating. Nevertheless, before the new laser is introduced into clinical practice, its parameters and ability to interact with human skin have to be carefully examined. In order to do that optical skin phantoms can be used. Such phantoms closely imitate the scattering and absorption properties of real human skin tissue along with its thermal properties,...
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Comparison of different extraction techniques of polychlorinated biphenyls from sediments samples.
PublicationIn this work, problems that may occur during determination of trace levels of polychlorinated biphenyls in sediment samples are described. Main error sources are connected with extraction of analytes prior to final determination. During model studies, polychlorinated biphenyls have been extracted from sedimentreference material (METRANAL 2) with the use of different solvents (dichloromethane, hexsane, and toluene); the process...
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Ab-initio study of electrical and optical properties of allylamine
PublicationThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between...
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Ab-initio study of electrical and optical properties of allylamine
PublicationThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between molecule...